============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 12 0.840 55.810 79.232 61.836 -99.200 -91.000 TYR 17 0.840 48.778 80.760 68.732 -99.200 -91.000 TYR 18 0.840 49.917 83.226 60.813 -99.200 -91.000 PHE 30 1.000 47.330 92.872 52.636 -99.200 -91.000 PHE 34 1.000 42.897 89.575 64.047 -99.200 -91.000 TRP 42 1.040 52.040 97.338 61.625 -99.200 -91.000 TRP6 42 1.020 53.351 95.812 60.348 -99.200 -91.000 TYR 52 0.840 63.418 98.787 54.237 -99.200 -91.000 TYR 57 0.840 62.255 87.326 50.709 -99.200 -91.000 HIS 58 0.900 56.458 89.256 55.478 -99.200 -91.000 PHE 61 1.000 45.750 98.741 50.377 -99.200 -91.000 TYR 69 0.840 44.388 104.629 48.973 -99.200 -91.000 HIS 71 0.900 47.524 111.069 49.897 -99.200 -91.000 TYR 80 0.840 54.318 96.881 66.777 -99.200 -91.000 PHE 88 1.000 51.916 105.562 52.584 -99.200 -91.000 PHE 105 1.000 45.018 100.498 55.344 -99.200 -91.000 PHE 116 1.000 58.258 93.553 61.830 -99.200 -91.000 PHE 121 1.000 52.959 88.130 62.109 -99.200 -91.000 PHE 129 1.000 41.376 99.599 76.593 -99.200 -91.000 PHE 141 1.000 35.613 95.223 69.753 -99.200 -91.000 PHE 155 1.000 39.071 92.562 72.143 -99.200 -91.000 PHE 157 1.000 42.669 87.713 70.757 -99.200 -91.000 TYR 158 0.840 40.953 77.308 71.379 -99.200 -91.000 TYR 159 0.840 46.523 83.139 70.897 -99.200 -91.000 HIS 178 0.900 37.094 76.075 70.713 -99.200 -91.000 TYR 179 0.840 33.632 79.842 77.545 -99.200 -91.000 PHE 183 1.000 34.552 83.757 79.774 -99.200 -91.000 HIS 184 0.900 37.112 85.783 89.502 -99.200 -91.000 TYR 185 0.840 33.983 88.472 83.426 -99.200 -91.000 TRP 194 1.040 42.993 95.327 76.073 -99.200 -91.000 TRP6 194 1.020 40.841 95.162 77.039 -99.200 -91.000 TYR 224 0.840 58.923 81.911 74.428 -99.200 -91.000 PHE 246 1.000 70.104 83.105 70.876 -99.200 -91.000 TYR 248 0.840 66.293 81.986 81.802 -99.200 -91.000 PHE 263 1.000 51.704 83.396 85.849 -99.200 -91.000 HIS 264 0.900 48.862 83.416 94.152 -99.200 -91.000 TYR 270 0.840 42.921 82.765 86.798 -99.200 -91.000 TYR 277 0.840 56.573 75.733 83.651 -99.200 -91.000 PHE 279 1.000 57.149 76.292 73.495 -99.200 -91.000 TYR 283 0.840 57.682 64.116 77.207 -99.200 -91.000 HIS 293 0.900 62.591 84.369 75.646 -99.200 -91.000 TRP 305 1.040 55.388 89.456 86.583 -99.200 -91.000 TRP6 305 1.020 56.534 87.389 86.340 -99.200 -91.000 PHE 311 1.000 47.390 83.303 82.460 -99.200 -91.000 PHE 315 1.000 44.168 79.546 83.108 -99.200 -91.000 TYR 316 0.840 37.368 81.531 74.874 -99.200 -91.000 PHE 319 1.000 41.850 90.255 75.734 -99.200 -91.000 PHE 328 1.000 42.603 85.925 82.413 -99.200 -91.000